Geometry & MOs

Info

ID:	206499
PubChem CID:	80260908
Reduced:	OSN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	229.124883
ΔH_f, kcal/mol:	-24.12
Dipole, Da:	6.09
IP(EA), eV:	-8.48(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-cyclopentylurea

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)NC2=CC=C(C=C2)C(=S)N

DOS

IR

Vibrations